CID 10786707

(s)-3-(2-hydroxyethoxy)-4-trityloxybutanol

Structural Information

Molecular Formula
C25H28O4
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@H](CCO)OCCO
InChI
InChI=1S/C25H28O4/c26-17-16-24(28-19-18-27)20-29-25(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24,26-27H,16-20H2/t24-/m0/s1
InChIKey
GHCPFMUMJNJKLO-DEOSSOPVSA-N
Compound name
(3S)-3-(2-hydroxyethoxy)-4-trityloxybutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

392.19876 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.206036 196.7
[M+Na]+ 415.187978 198.3
[M-H]- 391.191484 201.9
[M+NH4]+ 410.232583 205.0
[M+K]+ 431.161918 193.2
[M+H-H2O]+ 375.196020 186.7
[M+HCOO]- 437.196961 213.6
[M+CH3COO]- 451.212611 215.1
[M+Na-2H]- 413.173426 200.1
[M]+ 392.19821142 197.4
[M]- 392.19930858 197.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe